3-[propan-2-yl-(2,4,6-trimethylphenyl)sulfonyl-amino]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[propan-2-yl-(2,4,6-trimethylphenyl)sulfonyl-amino]propyl 4-methylbenzenesulfonate Openeye Name: 3-[isopropyl-(2,4,6-trimethylphenyl)sulfonyl-amino]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[propan-2-yl-(2,4,6-trimethylphenyl)sulfonylamino]propyl ester IUPAC Name: 3-[propan-2-yl-(2,4,6-trimethylphenyl)sulfonylamino]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[isopropyl(mesitylsulfonyl)amino]propyl ester Formula: C22H31NO5S2 MolecularWeight: 453.61524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCN(C(C)C)S(=O)(=O)C2=C(C=C(C=C2C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCN(C(C)C)S(=O)(=O)C2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C22H31NO5S2/c1-16(2)23(29(24,25)22-19(5)14-18(4)15-20(22)6)12-7-13-28-30(26,27)21-10-8-17(3)9-11-21/h8-11,14-16H,7,12-13H2,1-6H3